uspto-grants-2003_02 · 10.6084/m9.figshare.5104873.v1 · US06525032B2
查看![(2R,3R,4S, 5S)-4-(Benzoyloxy)-2-{6-[(2-benzyl-3-phenylpropyl)amino]-2-iodo-9H-purin-9-yl}-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate 分子结构式](/api/mol/10212972/svg/360x280.svg)
HCID10212972
(2R,3R,4S, 5S)-4-(Benzoyloxy)-2-{6-[(2-benzyl-3-phenylpropyl)amino]-2-iodo-9H-purin-9-yl}-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
[(2S,3S,4R,5R)-4-benzoyloxy-5-[6-[(2-benzyl-3-phenylpropyl)amino]-2-iodopurin-9-yl]-2-(ethylcarbamoyl)oxolan-3-yl] benzoate
C42H39IN6O6850.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(Cc4ccccc4)Cc4ccccc4)nc(I)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
- InChIKey
- IQJCNNNEXLKGGM-BQFNBOMDSA-N
- 分子式
- C42H39IN6O6
- 平均分子量
- 850.7 g/mol
- 单同位素质量
- 850.19758
COMPUTED
结构计算性质
- XLogP
- 7.9
- 极性表面积
- 147 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 16
- 重原子
- 55
- 形式电荷
- 0
- 复杂度
- 1,220
ALIASES
名称与别名
SCHEMBL5723933IQJCNNNEXLKGGM-BQFNBOMDSA-N(2R,3R,4S, 5S)-4-(Benzoyloxy)-2-{6-[(2-benzyl-3-phenylpropyl)amino]-2-iodo-9H-purin-9-yl}-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(benzoyloxy)-2-{6-[(2-benzyl-3-phenylpropyl)amino)-2-iodo-9H-purin-9-yl}-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
REACTIONS
参与反应
uspto-grants-2003_02 · 10.6084/m9.figshare.5104873.v1 · US06525032B2
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